4-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]-(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 4-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 4-[4-methoxy-3-[2-(2-pyridyl)ethoxy]-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 4-[4-methoxy-3-[2-(2-pyridinyl)ethoxy]-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 4-[4-methoxy-3-(2-pyridin-2-ylethoxy)-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 4-[4-methoxy-3-[2-(2-pyridyl)ethoxy]-N-(3-pyridylmethyl)anilino]benzoic acid Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)O)OCCC4=CC=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)O)OCCC4=CC=CC=N4

InChI

InChI=1S/C27H25N3O4/c1-33-25-12-11-24(17-26(25)34-16-13-22-6-2-3-15-29-22)30(19-20-5-4-14-28-18-20)23-9-7-21(8-10-23)27(31)32/h2-12,14-15,17-18H,13,16,19H2,1H3,(H,31,32)